Ab initio study of ground-state properties of the Laves-phase compound Zr Mn2

Physical Review B - Condensed Matter and Materials Physics

Volumn 72, Issue 5, 2005, Pages

  Chen, Xing Qiu ^a   Wolf, W ^b   Podloucky, R ^a   Rogl, P ^a   Marsman, M ^a  

^a UNIVERSITY OF VIENNA   (Austria)

^b Materials Design sarl   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33644963411     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.72.054440     Document Type: Article

References (42)

1. V. N. Svechnikov and V. V. Pet'kov, Metallofizika (Kiev) MANFDD 0204-3580 (Akademiya nauk ukrainskoi SSR, Institute Metallofiziki) 64, 24 (1976).
2. T. B. Massalski, H. Okamoto, P. R. Subramanian, and L. Kacprozak, in Binary Alloys Phase Diagrams, edited by, T. B. Massalski,,, H. Okamoto,,, P. R. Subramanian,, and, L. Kacprozak, (The Materials Information Society, ASM International, 1989), Vol. 3, p. 2629.
3. R. M. van Essen and K. H. J. Bushow, Mater. Res. Bull. MRBUAC 0025-5408 15, 1149 (1980).
4. L. Y. Zhang, A. T. Pedziwatr, F. Pourarian, and W. E. Wallace, J. Magn. Magn. Mater. JMMMDC 0304-8853 10.1016/0304-8853(87)90006-0 68, 309 (1987).
5. F. Pourarian, H. Fujii, W. E. Wallace, V. K. Sinha, and H. K. Smith, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j150621a020 85, 3105 (1981).
6. V. K. Sinha and W. E. Wallace, J. Less-Common Met. JCOMAH 0022-5088 10.1016/0022-5088(85)90255-3 106, 199 (1985).
7. Åblaina and R. Trojko, J. Less-Common Met. JCOMAH 0022-5088 133, 277 (1987).
8. H. Flandorfer, J. Cröbner, A. Stamou, N. Hassiotis, A. Saccone, P. Rogl, R. Wouters, H. Seifert, D. Maccio, R. Ferro, G. Haidemenopoulos, L. Delaey, and G. Effenberg, Z. Metallkd. ZEMTAE 0044-3093 88, 529 (1997).
9. L. D. Gulay and V. I. Zaremba, J. Alloys Compd. JALCEU 0925-8388 347, 184 (2002).
10. I. I. Bulyk, Yu. B. Basaraba, and A. M. Trostianchyn, J. Alloys Compd. JALCEU 0925-8388 367, 283 (2004).
11. T. M. Shavishvili, A. I. Meskhishvili, and T. D. Andriadze, Fiz. Met. Metalloved. FMMTAK 0015-3230 47, 880 (1979)
12. T. M. Shavishvili, A. I. Meskhishvili, and T. D. Andriadze, [Phys. Met. Metallogr. PHMMA6 0031-918X 47, 880 (1979)].
13. I. Jacob, D. Davidov, and D. Shaltiel, J. Magn. Magn. Mater. JMMMDC 0304-8853 10.1016/0304-8853(80)90438-2 20, 226 (1980).
14. S. Ishida, S. Asano, and J. Ishida, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.54.3925 54, 3925 (1985).
15. S. Asano and S. Ishida, J. Magn. Magn. Mater. JMMMDC 0304-8853 10.1016/0304-8853(87)90355-6 70, 39 (1987).
16. T. Matsumura, H. Yukawa, and M. Morinaga, J. Alloys Compd. JALCEU 0925-8388 10.1016/S0925-8388(97)00598-7 279, 192 (1998).
17. H. Yamada, Physica B & C PHBCDQ 0378-4363 10.1016/0378-4363(88)90270- 7 149, 390 (1988).
18. S. Hong and C. L. Fu, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66. 094109 66, 094109 (2002).
19. X. Q. Chen, W. Wolf, R. Podloucky, P. Rogl, and M. Marsman, Europhys. Lett. EULEEJ 0295-5075 64, 807 (2004).
20. X. Q. Chen, W. Wolf, R. Podloucky, and P. Rogl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.174101 71, 174101 (2005).
21. G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996)
22. G. Kresse and J. Furthmóller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
23. P. E. Blöchl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
24. G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1758, 59 1758 (1999).
25. J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.13244 45, 13244 (1992).
26. S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. CJPHAD 0008-4204 58, 1200 (1980).
27. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
28. H. Nakamura, N. Metoki, S. Suzuki, F. Takayanagi, and M. Shiga, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/13/3/309 13, 475 (2001).
29. W. Frank, C. Elsässer, and M. Fähnle, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.74.1791 74, 1791 (1995).
30. G. Kresse, J. Furthmüller, and J. Hafner, Europhys. Lett. EULEEJ 0295-5075 32, 729 (1995).
31. K. Parlinski, Software Phonon 3.11 (2002) as implemented in MedeA, Materials Design s.a.r.l. (2003), www.materialsdesign.com
32. K. Parlinski, Z-.Q. Li, and Y. Kawazoe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.4063 78, 4063 (1997).
33. B. Meyer and M. Fähnle, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.6072 59, 6072 (1999)
34. B. Meyer and M. Fähnle, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.717 60, 717 (1999)
35. M. Rasamny, M. Weinert, G. W. Fernando, and R. E. Watson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.144107 64, 144107 (2001).
36. D. Hobbs, J. Hafner, and D. Spiscaron;ák, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.014407 68, 014407 (2003)
37. J. Hafner and D. Hobbs, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.014408 68, 014408 (2003).
38. X. Q. Chen, C. Franchini, A. Filippetti, and R. Podloucky (unpublished).
39. X. Q. Chen, V. T. Vitusiewicz, R. Podloucky, P. Rogl, and F. Sommer, Acta Mater. ACMAFD 1359-6454 10.1016/S1359-6454(02)00497-4 51, 1239 (2003).
40. F. Smetana, P. Entner, and A. Neckel, Monatsch. Chem. MOCMB7 0026-9247 10.1007/BF00908536 101, 956 (1970).
41. J. R. Stewart, B. D. Rainford, R. S. Eccleston, and R. Cywinski, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.186403 89, 186403 (2002).
42. J. F. Nye, in Physical Properties of Crystals (Clarendon Press, Oxford, 1985), p. 142.